4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline

C16H19FN2 — CID 78935285

IUPAC4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C16H19FN2/c1-3-19(16-10-6-14(17)7-11-16)15-8-4-13(5-9-15)12(2)18/h4-12H,3,18H2,1-2H3/t12-/m1/s1
InChIKeyBVMJRSDWCICPJL-GFCCVEGCSA-N
MW258.34 g/mol
LogP4.00
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline

4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline (PubChem CID 78935285) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline
PubChem CID78935285
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C16H19FN2/c1-3-19(16-10-6-14(17)7-11-16)15-8-4-13(5-9-15)12(2)18/h4-12H,3,18H2,1-2H3/t12-/m1/s1
InChIKeyBVMJRSDWCICPJL-GFCCVEGCSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
CID 78996712
3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
CID 102813839
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline (CID 78935285) is 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline is CCN(c1ccc(F)cc1)c1ccc([C@@H](C)N)cc1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline?
The InChIKey is BVMJRSDWCICPJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-19(16-10-6-14(17)7-11-16)15-8-4-13(5-9-15)12(2)18/h4-12H,3,18H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline?
4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline has a molecular weight of 258.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 78935285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).